BZB6P2 -OEChem-04012113022D 44 46 0 1 0 0 0 0 0999 V2000 8.6690 0.9747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 -0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8079 -0.1924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 1.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 0.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 0.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1690 1.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 0.4747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5350 1.4747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 -0.0253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3388 0.4747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0709 0.4747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3388 1.4747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4028 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 1.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2983 -2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3163 -1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -0.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 -0.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 2.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 2.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 2.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3354 1.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5384 1.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -2.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 -2.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -2.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 -2.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8827 -1.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5685 -0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 1.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -0.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 1.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5350 2.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 9 18 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 6 0 0 0 12 14 1 0 0 0 0 12 24 1 1 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 14 25 1 1 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$